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Chemical ID: 6628075
Chemical ID:
6628075
Name [?]:
N-(2-chlorophenyl)-N'-[(4-chlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C(=O)NN=Cc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3O2/c16-11-7-5-10(6-8-11)9-18-20-15(22)14(21)19-13-4-2-1-3-12(13)17/h1-9H,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,16,20,17,19,14,15,18,4,5,8,10,21,22,13,7,12,9,11/E:(5,6)(7,8)/rA:22nCCCCCCNCOCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7586 |
Area: | 532.483 |
Solvation: | -2.55343 |
Coulombic: | -46.4673 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.172 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.27 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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